Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL432264 | 0.87 | — | — | |
| Water SCHEMBL108322 | 0.87 | — | — | |
| Water SCHEMBL27946586 | 0.87 | — | — | |
| Water SCHEMBL717711 | 0.87 | — | — | |
| Water SCHEMBL337278 | 0.87 | — | — | |
| SCHEMBL23832324 | 0.75 | — | — | |
| Water SCHEMBL3678756 | 0.75 | — | — | |
| Silver SCHEMBL2393332 | 0.75 | — | — | |
| Lithium Ion SCHEMBL97084 | 0.75 | — | — | |
| Water SCHEMBL22798862 | 0.75 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160164072-A1 | HIGH ENERGY/POWER DENSITY NICKEL OXIDE/HYDROXIDE MATERIALS AND NICKEL COBALT OXIDE/HYDROXIDE MATERIALS AND PRODUCTION THEREOF | LAWRENCE LIVERMORE NATIONAL SECURITY, LLC | 2016-06-09 | — | — | US | disclosed |
| US-20130136991-A1 | HIGH ENERGY/POWER DENSITY NICKEL OXIDE/HYDROXIDE MATERIALS AND NICKEL COBALT OXIDE/HYDROXIDE MATERIALS AND PRODUCTION THEREOF | LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) | 2013-05-30 | — | — | US | disclosed |